CID 2760127

677326-97-5

Structural Information

Molecular Formula
C8H9ClN2O3S
SMILES
CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H9ClN2O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,10,11,12)
InChIKey
AUVKUNSZASYBOE-UHFFFAOYSA-N
Compound name
4-(methylcarbamoylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

248.00224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.009516 148.9
[M+Na]+ 270.991458 157.3
[M-H]- 246.994964 153.2
[M+NH4]+ 266.036063 166.9
[M+K]+ 286.965398 153.1
[M+H-H2O]+ 230.999500 143.9
[M+HCOO]- 293.000441 164.5
[M+CH3COO]- 307.016091 190.4
[M+Na-2H]- 268.976906 153.7
[M]+ 248.00169142 152.2
[M]- 248.00278858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe